Sperabillin B
TL;DR: Sperabillin B (CAS 111337-85-0) is a chemical compound with molecular formula C16H29N5O3 and molecular weight 339.22705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-hydroxyheptanamide
Also Known As: Sperabillin B, Antibiotic TAN-749B, (3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-hydroxyheptanamide, D-xylo-Heptonamide, 3-amino-N-(3-amino-3-iminopropyl)-2,3,4,6,7-pentadeoxy-6-((1-oxo-2,4-hexadienyl)amino)-, (E,Z)-, (3R,5R,6R)-3-AMINO-N-(2-CARBAMIMIDOYLETHYL)-6-[(2E,4Z)-HEXA-2,4-DIENAMIDO]-5-HYDROXYHEPTANAMIDE
Technical Specifications
| Molecular Formula | C16H29N5O3 |
| Molecular Weight | 339.22705 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 339.22705 Da |
| Heavy Atoms | 24 |
| Complexity | 476.0 |
| SMILES | C/C=C\C=C\C(=O)N[C@H](C)[C@@H](C[C@H](CC(=O)NCCC(=N)N)N)O |
| InChIKey | HGBIYXQMCATWPJ-HPLJFFTKSA-N |
Chemical Property Profile of Sperabillin B
Property Insights of Sperabillin B
The XLogP value of -1.5 indicates that Sperabillin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting Sperabillin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sperabillin B has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Sperabillin B?
The CAS number of Sperabillin B is 111337-85-0.
What is the molecular formula of Sperabillin B?
The molecular formula of Sperabillin B is C16H29N5O3.
What is the molecular weight of Sperabillin B?
The molecular weight of Sperabillin B is 339.22705 g/mol.
Where can I buy Sperabillin B?
You can request a quote for Sperabillin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sperabillin B?
Yes, CoreyChem provides custom synthesis services for Sperabillin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.